SCHEMBL14640205

SCHEMBL14640205

CC(C)(C)C1CC(O)C[C@H](C(C)(C)C)C1O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
GBA1 P04062 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30155 1.00 LMNA (0.32) LMNACYP2C9GBA1CHRM2CHRM1
SCHEMBL12217040 0.90 LMNA (0.33) LMNACYP2C9GBA1CHRM2CHRM1
SCHEMBL30203 0.81 CYP2C9 (0.32) CYP2C9GBA1
SCHEMBL13900980 0.81 CYP2C9 (0.32) CYP2C9GBA1
SCHEMBL14473283 0.81 CYP2C9 (0.32) CYP2C9GBA1
SCHEMBL16800305 0.80 GBA1 (0.33) GBA1
SCHEMBL172113 0.79 GBA1 (0.30) GBA1
SCHEMBL3104581 0.79 GBA1 (0.30) GBA1
SCHEMBL10035795 0.77 FUCA1 (0.33)
SCHEMBL8863482 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310474-B1 Fluorinated biphenyl compounds and their use in liquid crystal compositions MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed